3-[cyclobutyl-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]amino]propan-1-ol

C18H36N2O — CID 102870862

IUPAC3-[cyclobutyl-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]amino]propan-1-ol
SMILESCCNCC1(CN(CCCO)C2CCC2)CCCC(C)C1
InChIInChI=1S/C18H36N2O/c1-3-19-14-18(10-5-7-16(2)13-18)15-20(11-6-12-21)17-8-4-9-17/h16-17,19,21H,3-15H2,1-2H3
InChIKeyGRKUWAKWJRNDQV-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.03
Rot. Bonds9

About 3-[cyclobutyl-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]amino]propan-1-ol

3-[cyclobutyl-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]amino]propan-1-ol (PubChem CID 102870862) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 3-[cyclobutyl-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]amino]propan-1-ol
PubChem CID102870862
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name3-[cyclobutyl-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]amino]propan-1-ol
SMILESCCNCC1(CN(CCCO)C2CCC2)CCCC(C)C1
InChIInChI=1S/C18H36N2O/c1-3-19-14-18(10-5-7-16(2)13-18)15-20(11-6-12-21)17-8-4-9-17/h16-17,19,21H,3-15H2,1-2H3
InChIKeyGRKUWAKWJRNDQV-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclobutyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]propan-1-ol
CID 102870849
2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol
CID 102871050
3-[cyclobutyl-[3-(ethylamino)propyl]amino]propan-1-ol
CID 102869544
2-[cyclopropyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]ethanol
CID 62272082
3-[[1-(ethylaminomethyl)cycloheptyl]methyl-methylamino]propan-1-ol
CID 114230934
3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol
CID 102870858
N-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 115987473
2-[cyclopropyl-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]amino]ethanol
CID 62270783
2-[(3R)-1-(2-hydroxyethyl)-3-methylcyclohexyl]ethanol
CID 168973967
[1-[[3-(diethylamino)propyl-ethylamino]methyl]-3-methylcyclohexyl]methanol
CID 102997292
N-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine
CID 82743297
2-[[1-(bromomethyl)cyclobutyl]methyl-cyclohexylamino]ethanol
CID 65009202

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]amino]propan-1-ol (CID 102870862) is 3-[cyclobutyl-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]amino]propan-1-ol is CCNCC1(CN(CCCO)C2CCC2)CCCC(C)C1.
What is the InChIKey of 3-[cyclobutyl-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]amino]propan-1-ol?
The InChIKey is GRKUWAKWJRNDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-3-19-14-18(10-5-7-16(2)13-18)15-20(11-6-12-21)17-8-4-9-17/h16-17,19,21H,3-15H2,1-2H3.
What are the key properties of 3-[cyclobutyl-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]amino]propan-1-ol?
3-[cyclobutyl-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]amino]propan-1-ol has a molecular weight of 296.50 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]amino]propan-1-ol is sourced from PubChem (CID 102870862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).